(4S)-1,1,2,3,3,4-hexabromohex-1-ene

C6H6Br6 — CID 22808489

IUPAC(4S)-1,1,2,3,3,4-hexabromohex-1-ene
SMILESCC[C@H](Br)C(Br)(Br)C(Br)=C(Br)Br
InChIInChI=1S/C6H6Br6/c1-2-3(7)6(11,12)4(8)5(9)10/h3H,2H2,1H3/t3-/m0/s1
InChIKeyFKIAPTAKYOGDMD-VKHMYHEASA-N
MW557.54 g/mol
LogP6.00
Rot. Bonds3

About (4S)-1,1,2,3,3,4-hexabromohex-1-ene

(4S)-1,1,2,3,3,4-hexabromohex-1-ene (PubChem CID 22808489) has the molecular formula C6H6Br6 and a molecular weight of 557.54 g/mol. Its IUPAC name is (4S)-1,1,2,3,3,4-hexabromohex-1-ene.

Molecular Properties

Compound Name(4S)-1,1,2,3,3,4-hexabromohex-1-ene
PubChem CID22808489
Molecular FormulaC6H6Br6
Molecular Weight557.54 g/mol
Exact Mass551.56
IUPAC Name(4S)-1,1,2,3,3,4-hexabromohex-1-ene
SMILESCC[C@H](Br)C(Br)(Br)C(Br)=C(Br)Br
InChIInChI=1S/C6H6Br6/c1-2-3(7)6(11,12)4(8)5(9)10/h3H,2H2,1H3/t3-/m0/s1
InChIKeyFKIAPTAKYOGDMD-VKHMYHEASA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.54
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (4S)-1,1,2,3,3,4-hexabromohex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-1,1,2,3,3,4-hexabromohex-1-ene?
The IUPAC name of (4S)-1,1,2,3,3,4-hexabromohex-1-ene (CID 22808489) is (4S)-1,1,2,3,3,4-hexabromohex-1-ene.
What is the SMILES notation for (4S)-1,1,2,3,3,4-hexabromohex-1-ene?
The canonical SMILES for (4S)-1,1,2,3,3,4-hexabromohex-1-ene is CC[C@H](Br)C(Br)(Br)C(Br)=C(Br)Br.
What is the InChIKey of (4S)-1,1,2,3,3,4-hexabromohex-1-ene?
The InChIKey is FKIAPTAKYOGDMD-VKHMYHEASA-N. The full InChI is InChI=1S/C6H6Br6/c1-2-3(7)6(11,12)4(8)5(9)10/h3H,2H2,1H3/t3-/m0/s1.
What are the key properties of (4S)-1,1,2,3,3,4-hexabromohex-1-ene?
(4S)-1,1,2,3,3,4-hexabromohex-1-ene has a molecular weight of 557.54 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,1,2,3,3,4-hexabromohex-1-ene is sourced from PubChem (CID 22808489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).